VirtualTaste

Natural Compounds

The taste of a selection of natural compounds was predicted using our taste prediction models. This dataset includes compounds that were predicted to either have a sweet (S) or bitter (B) taste. All of these compounds can be found in the Supernatural II Database and can be accessed through the Supernatural ID links.

Supernatural ID	SMILES	Taste	Confidence
SN00287029	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC	B	0.995999992
SN00287136	[C@@H](OC(=O)C)(CCCCCCCCCCCCCCCCCCCCCCCCC)CCCC	B	0.995999992
SN00287253	[C@@H](CCCCCCCCCCCC(=O)C)(CCCC)C	B	0.980000019
SN00287289	c12c(c(cc2)C)ccccc1C	B	0.958000004
SN00287387	c12c(NCCC1=O)cccc2	B	0.963999987
SN00287397	[C@H](CCCCCCCCCCCCCCCCCCCCCCC)(CCC)C	B	0.976000011
SN00287545	C(=O)(Cl)CCCCCC	B	0.958000004
SN00287594	[C@H]12[C@H]3C[C@@H](CN1CC[C@@H](C2)O)[C@@H]1N(C3)C=CC(=O)C1	B	0.953999996
SN00287653	C(CCCCCC=O)C/C=C\CCCC	B	0.959999979
SN00287809	[C@@H]1([C@@H](CC[C@@H]1C)C)C	B	0.952000022
SN00287964	c12c(cc3c(c2)cco3)oc(=O)c(c1OC)OC	B	0.95599997
SN00287988	c1([C@@H](CC)CCCCCCCC)ccccc1	B	0.981999993
SN00288165	c12n(c([C@@H](CC)CC)cc(=O)c1cccc2)C	B	0.970000029
SN00288258	c12c(c3c(o2)cccc3)ccc2c1cccc2	B	0.966000021
SN00288414	OCCCCCCCCCCC[C@H](CC)C	B	0.963999987
SN00288421	[C@@H]1(c2ccccc2)C(=O)NCC(=O)N1	B	0.958000004
SN00288429	C(=O)([C@@H](C)C)OC	B	0.962000012
SN00288681	C(=O)([C@@H](OC)C)C	B	0.953999996
SN00288778	C(=O)([C@H](C)C)SC/C=C(\C)C	B	0.972000003
SN00288836	P	B	1
SN00288918	C(C(=O)OCC[C@H](CC)C)[C@H](C)C	B	0.981999993
SN00289011	c1(c(c(=O)c2c(o1)c(ccc2O)O)O)c1cc(c(c(c1)O)O)O	B	0.970000029
SN00289042	c12c(oc(cc1=O)c1cc3c(cc1)OCO3)cc(cc2O)O	B	0.962000012
SN00289387	[C@@](Br)(Br)(Br)Br	B	0.959999979
SN00289389	[C@H](CCC[C@H](C)C)(C)C	B	0.994000018

Page 101 of 163